Drug Information

Drug General Information
Drug ID
D03DMA
Former ID
DNC007686
Drug Name
Geranylcoumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C19H22O3
Canonical SMILES
CC(C)C=CCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C
InChI
1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h4-5,7-11,13-14H,6,12H2,1-3H3/b5-4+,15-11+
InChIKey
KAYCKFWCZGZEHA-WEPZFIBGSA-N
PubChem Compound ID
44429171
Target and Pathway
Target(s) Cytochrome P450 3A4 Target Info Inhibitor [1]
KEGG Pathway Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Drug metabolism - other enzymes
Metabolic pathways
Bile secretion
Chemical carcinogenesis
PathWhiz Pathway Caffeine Metabolism
Retinol Metabolism
Reactome Xenobiotics
Aflatoxin activation and detoxification
WikiPathways Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine Metabolism
References
REF 1Bioorg Med Chem. 2007 Jun 1;15(11):3684-91. Epub 2007 Mar 18.Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit.

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